methyl 4-[(2R)-3-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-2-oxidanyl-propoxy]-3-methoxy-benzoate

Systemtic Name: methyl 4-[(2R)-3-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-2-oxidanyl-propoxy]-3-methoxy-benzoate Openeye Name: methyl 4-[(2R)-3-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-2-hydroxy-propoxy]-3-methoxy-benzoate CAS Name: 4-[(2R)-3-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-2-hydroxypropoxy]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[(2R)-3-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-2-hydroxypropoxy]-3-methoxybenzoate Traditional Name: 4-[(2R)-3-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-2-hydroxy-propoxy]-3-methoxy-benzoic acid methyl ester Formula: C24H33N2O7S+ MolecularWeight: 493.59302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(COC3=C(C=C(C=C3)C(=O)OC)OC)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C[C@H](COC3=C(C=C(C=C3)C(=O)OC)OC)O)C

InChI

InChI=1S/C24H32N2O7S/c1-17-5-7-21(13-18(17)2)34(29,30)26-11-9-25(10-12-26)15-20(27)16-33-22-8-6-19(24(28)32-4)14-23(22)31-3/h5-8,13-14,20,27H,9-12,15-16H2,1-4H3/p+1/t20-/m1/s1